SCHEMBL7683286

SCHEMBL7683286

CCOC(=O)C1(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)c2ccccn2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.49
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
KIF11 P52732 11/20 0.45
SIRT1 Q96EB6 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7693228 0.92 MEN1 (0.48) DHODHMAPTMEN1KMT2ALMNA
SCHEMBL7684013 0.91 MAPT (0.51) DHODHMAPTMEN1KMT2ALMNA
SCHEMBL7677069 0.88 MEN1 (0.49) MAPTMEN1KMT2ALMNAKIF11
SCHEMBL7851002 0.88 DHODH (0.54) DHODHMAPTKIF11SIRT1NPSR1
SCHEMBL7676864 0.87 MEN1 (0.46) MAPTMEN1KMT2ALMNAKIF11
SCHEMBL7676618 0.87 KMT2A (0.46) MAPTMEN1KMT2ALMNAKIF11
SCHEMBL7681633 0.87 MEN1 (0.48) MAPTMEN1KMT2ALMNAKIF11
SCHEMBL7680379 0.86 MAPT (0.51) MAPTMEN1KMT2ALMNAKIF11
SCHEMBL7679575 0.86 MAPT (0.46) MAPTMEN1KMT2ALMNAKIF11
SCHEMBL7683791 0.85 SIRT1 (0.56) MAPTMEN1KMT2ALMNAKIF11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6350757-B1 Beta-carboline compounds LES LABORATOIRES SERVIER (FR) 2002-02-26 US disclosed